SCHEMBL20266342

SCHEMBL20266342

CCCN(C(N)=O)c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 2/20 0.50
LMNA P02545 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.46
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22605727 0.84 TP53 (0.54) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL26944774 0.78 TRPM8 (0.49) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL23339313 0.77 TP53 (0.47) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL6261729 0.77 TP53 (0.58) TP53ALDH1A1CYP3A4TRPM8TSHR
SCHEMBL2754185 0.76 CYP3A4 (0.58) TP53ALDH1A1CYP3A4LMNATRPM8
Hydrochloric Acid SCHEMBL27349395 0.75 TP53 (0.56) TP53ALDH1A1CYP3A4TRPM8TSHR
SCHEMBL11446155 0.75 ALDH1A1 (0.62) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL1932869 0.74 TP53 (0.42) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL17899407 0.74 TP53 (0.42) TP53ALDH1A1CYP3A4LMNATRPM8
SCHEMBL17505146 0.74 TRPM8 (0.57) TP53ALDH1A1CYP3A4LMNATRPM8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
US-20180255813-A1 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2018-09-13 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed